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Journal of Computational Chemistry|December 12, 2023
Training machine learning potentials for reactive systems: A Colab tutorial on basic modelsXiaoliang Pan, Ryan Snyder, Jia-Ning Wang, et al.The Journal of Physical Chemistry. B|September 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and SpeedWonmuk Hwang, Steven L Austin, Arnaud Blondel, et al.Pageof 5